3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid

C15H21NO4 — CID 119228886

IUPAC3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(C(C)C(=O)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-10(15(18)19)9-16(3)14(17)11(2)12-5-7-13(20-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyNWHCLZPKFRGMPP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.98
Rot. Bonds6

About 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid

3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119228886) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119228886
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(C(C)C(=O)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-10(15(18)19)9-16(3)14(17)11(2)12-5-7-13(20-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyNWHCLZPKFRGMPP-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 66195659
2-methyl-3-[methyl-[2-[4-(2-methylpropanoyl)phenyl]propanoyl]amino]propanoic acid
CID 122111437
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122008787
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000754
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
CID 110313652
2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid
CID 119203577
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid (CID 119228886) is 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid is COc1ccc(C(C)C(=O)N(C)CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is NWHCLZPKFRGMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(15(18)19)9-16(3)14(17)11(2)12-5-7-13(20-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19).
What are the key properties of 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).